Computational Study of Proline - Water Cluster

Bulletin of the Korean chemical society

Sungyul Lee¹  In-Sun Jeon¹  Sung-Woo Park¹  Kyung-Min Lee¹  Bo-Ra Lee¹  Doo-Sik Ahn¹ 

关键词: Proline;    Water;    Cluster;   

DOI  :  

学科分类：化学（综合）

来源: Korean Chemical Society

【 摘 要 】

Calculations are presented for the structures of various conformers of the bare proline and proline ? (H2O) cluster. The effects of hydrogen bonding with a water molecule on the relative stability of the low energy conformers of proline are examined. Microsolvation by a water molecule is predicted to affect the relative stability, structures and the infrared frequencies of the conformers to a large degree.

【 授权许可】

Unknown